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MMsINC code: MMs00718351

Type: Neutral
Formula: C₂₀H₂₃ClN₂O₄

SMILES:

Clc1cc(ccc1OC)C(=O)Nc1cc(OC)c(NC(=O)CCCC)cc1

InChI:

InChI=1/C20H23ClN2O4/c1-4-5-6-19(24)23-16-9-8-14(12-18(16)27-3)22-20(25)13-7-10-17(26-2)15(21)11-13/h7-12H,4-6H2,1-3H3,(H,22,25)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.973 kcal/mol

Physical Properties
Molecular Weight: 390.867 g/mol	logS: -5.63158	SlogP: 4.7382	Reactive groups: 0

Topological Properties
Globularity: 0.0171299	Sterimol/B1: 2.4133	Sterimol/B2: 3.2382	Sterimol/B3: 3.66084
Sterimol/B4: 8.87902	Sterimol/L: 22.8439

Surface and Volume Properties
Accessible surface: 692.296	Positive charged surface: 466.879	Negative charged surface: 225.416	Volume: 365.125
Hydrophobic surface: 581.162	Hydrophilic surface: 111.134

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.